2-butyl-1-dodecyl-3-methyl-2H-imidazole

C20H40N2 — CID 69393708

IUPAC2-butyl-1-dodecyl-3-methyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(C)C1CCCC
InChIInChI=1S/C20H40N2/c1-4-6-8-9-10-11-12-13-14-15-17-22-19-18-21(3)20(22)16-7-5-2/h18-20H,4-17H2,1-3H3
InChIKeyNNGSZKBYQJYTFE-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.14
Rot. Bonds14

About 2-butyl-1-dodecyl-3-methyl-2H-imidazole

2-butyl-1-dodecyl-3-methyl-2H-imidazole (PubChem CID 69393708) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 2-butyl-1-dodecyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name2-butyl-1-dodecyl-3-methyl-2H-imidazole
PubChem CID69393708
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name2-butyl-1-dodecyl-3-methyl-2H-imidazole
SMILESCCCCCCCCCCCCN1C=CN(C)C1CCCC
InChIInChI=1S/C20H40N2/c1-4-6-8-9-10-11-12-13-14-15-17-22-19-18-21(3)20(22)16-7-5-2/h18-20H,4-17H2,1-3H3
InChIKeyNNGSZKBYQJYTFE-UHFFFAOYSA-N
XLogP6.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butyl-1-dodecyl-3-methyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-1-methyl-3-octyl-2H-imidazole
CID 69390542
1-methyl-2,3-di(nonyl)-2H-imidazole
CID 69396034
2-heptyl-1-methyl-3-nonadecyl-2H-imidazole
CID 69392391
1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
CID 69389602
2-heptyl-1-methyl-3-pentyl-2H-imidazole
CID 69387496
2-butyl-1-hexadecyl-3-octyl-2H-imidazole
CID 69391441
2-butyl-1,3-di(heptadecyl)-2H-imidazole
CID 69390303
1,2-dibutyl-3-heptyl-2H-imidazole
CID 69386884
1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid
CID 174520441
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
CID 69390682
1-heptadecyl-2,3-dioctadecyl-2H-imidazole
CID 69389469
2-dodecyl-1-heptadecyl-3-pentyl-2H-imidazole
CID 69388444

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-dodecyl-3-methyl-2H-imidazole?
The IUPAC name of 2-butyl-1-dodecyl-3-methyl-2H-imidazole (CID 69393708) is 2-butyl-1-dodecyl-3-methyl-2H-imidazole.
What is the SMILES notation for 2-butyl-1-dodecyl-3-methyl-2H-imidazole?
The canonical SMILES for 2-butyl-1-dodecyl-3-methyl-2H-imidazole is CCCCCCCCCCCCN1C=CN(C)C1CCCC.
What is the InChIKey of 2-butyl-1-dodecyl-3-methyl-2H-imidazole?
The InChIKey is NNGSZKBYQJYTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-4-6-8-9-10-11-12-13-14-15-17-22-19-18-21(3)20(22)16-7-5-2/h18-20H,4-17H2,1-3H3.
What are the key properties of 2-butyl-1-dodecyl-3-methyl-2H-imidazole?
2-butyl-1-dodecyl-3-methyl-2H-imidazole has a molecular weight of 308.55 g/mol, XLogP of 6.14, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-dodecyl-3-methyl-2H-imidazole is sourced from PubChem (CID 69393708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).